USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 393 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 MET CE :methyl 159:sc= -9.2! (180deg=-2.26!) USER MOD Set 1.2: B 118 MET CE :methyl 168:sc= -9.54! (180deg=-2.25!) USER MOD Set 1.3: C 218 MET CE :methyl 164:sc= -9.22! (180deg=-2.2!) USER MOD Single : A 3 THR OG1 : rot 16:sc= 0.556 USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 107:sc= 1.16 USER MOD Single : B 103 THR OG1 : rot 25:sc= 0.616 USER MOD Single : B 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 113 THR OG1 : rot 101:sc= 1.14 USER MOD Single : C 203 THR OG1 : rot 33:sc= 0.572 USER MOD Single : C 204 ASN : amide:sc=-0.000735 X(o=-0.00073,f=0) USER MOD Single : C 213 THR OG1 : rot 101:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 38 N THR A 3 -0.962 -2.541 -1.734 1.00 0.00 N ATOM 39 CA THR A 3 -2.406 -2.461 -1.824 1.00 0.00 C ATOM 40 C THR A 3 -2.812 -1.935 -3.193 1.00 0.00 C ATOM 41 O THR A 3 -3.689 -2.498 -3.845 1.00 0.00 O ATOM 42 CB THR A 3 -2.935 -1.553 -0.718 1.00 0.00 C ATOM 43 OG1 THR A 3 -2.153 -1.723 0.443 1.00 0.00 O ATOM 44 CG2 THR A 3 -4.385 -1.914 -0.411 1.00 0.00 C ATOM 0 HA THR A 3 -2.836 -3.455 -1.698 1.00 0.00 H new ATOM 0 HB THR A 3 -2.881 -0.515 -1.045 1.00 0.00 H new ATOM 0 HG1 THR A 3 -1.313 -2.170 0.209 1.00 0.00 H new ATOM 0 HG21 THR A 3 -4.762 -1.265 0.379 1.00 0.00 H new ATOM 0 HG22 THR A 3 -4.990 -1.783 -1.308 1.00 0.00 H new ATOM 0 HG23 THR A 3 -4.440 -2.953 -0.085 1.00 0.00 H new ATOM 52 N ASN A 4 -2.170 -0.849 -3.629 1.00 0.00 N ATOM 53 CA ASN A 4 -2.465 -0.253 -4.916 1.00 0.00 C ATOM 54 C ASN A 4 -2.641 -1.342 -5.965 1.00 0.00 C ATOM 55 O ASN A 4 -3.600 -1.319 -6.734 1.00 0.00 O ATOM 56 CB ASN A 4 -1.335 0.695 -5.307 1.00 0.00 C ATOM 57 CG ASN A 4 -1.258 0.855 -6.819 1.00 0.00 C ATOM 58 OD1 ASN A 4 -2.132 1.473 -7.424 1.00 0.00 O ATOM 59 ND2 ASN A 4 -0.209 0.299 -7.428 1.00 0.00 N ATOM 0 H ASN A 4 -1.441 -0.369 -3.101 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.394 0.314 -4.852 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -1.494 1.668 -4.842 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -0.387 0.312 -4.929 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -0.106 0.377 -8.440 1.00 0.00 H new ATOM 0 HD22 ASN A 4 0.490 -0.204 -6.882 1.00 0.00 H new ATOM 66 N LEU A 5 -1.711 -2.299 -5.992 1.00 0.00 N ATOM 67 CA LEU A 5 -1.766 -3.392 -6.943 1.00 0.00 C ATOM 68 C LEU A 5 -3.193 -3.911 -7.051 1.00 0.00 C ATOM 69 O LEU A 5 -3.724 -4.053 -8.150 1.00 0.00 O ATOM 70 CB LEU A 5 -0.820 -4.503 -6.495 1.00 0.00 C ATOM 71 CG LEU A 5 0.581 -4.222 -7.031 1.00 0.00 C ATOM 72 CD1 LEU A 5 1.497 -5.397 -6.699 1.00 0.00 C ATOM 73 CD2 LEU A 5 0.520 -4.037 -8.544 1.00 0.00 C ATOM 0 H LEU A 5 -0.911 -2.332 -5.360 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.453 -3.040 -7.926 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.800 -4.562 -5.407 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.175 -5.467 -6.860 1.00 0.00 H new ATOM 0 HG LEU A 5 0.971 -3.315 -6.570 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.498 -5.197 -7.081 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.541 -5.530 -5.618 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.107 -6.304 -7.160 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.521 -3.836 -8.927 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.130 -4.944 -9.006 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.134 -3.198 -8.782 1.00 0.00 H new ATOM 85 N GLU A 6 -3.814 -4.196 -5.903 1.00 0.00 N ATOM 86 CA GLU A 6 -5.174 -4.695 -5.877 1.00 0.00 C ATOM 87 C GLU A 6 -6.131 -3.626 -6.385 1.00 0.00 C ATOM 88 O GLU A 6 -7.151 -3.939 -6.994 1.00 0.00 O ATOM 89 CB GLU A 6 -5.534 -5.110 -4.453 1.00 0.00 C ATOM 90 CG GLU A 6 -4.794 -6.395 -4.095 1.00 0.00 C ATOM 91 CD GLU A 6 -3.359 -6.355 -4.602 1.00 0.00 C ATOM 92 OE1 GLU A 6 -2.474 -6.048 -3.774 1.00 0.00 O ATOM 93 OE2 GLU A 6 -3.175 -6.631 -5.807 1.00 0.00 O ATOM 0 H GLU A 6 -3.388 -4.086 -4.983 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.257 -5.564 -6.529 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.268 -4.318 -3.754 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -6.610 -5.262 -4.368 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.798 -6.533 -3.014 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -5.313 -7.251 -4.527 1.00 0.00 H new ATOM 101 N ILE A 7 -5.796 -2.358 -6.133 1.00 0.00 N ATOM 102 CA ILE A 7 -6.621 -1.247 -6.565 1.00 0.00 C ATOM 103 C ILE A 7 -6.653 -1.191 -8.086 1.00 0.00 C ATOM 104 O ILE A 7 -7.637 -0.745 -8.672 1.00 0.00 O ATOM 105 CB ILE A 7 -6.068 0.052 -5.986 1.00 0.00 C ATOM 106 CG1 ILE A 7 -5.758 -0.142 -4.505 1.00 0.00 C ATOM 107 CG2 ILE A 7 -7.103 1.162 -6.149 1.00 0.00 C ATOM 108 CD1 ILE A 7 -5.610 1.220 -3.834 1.00 0.00 C ATOM 0 H ILE A 7 -4.953 -2.083 -5.629 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.641 -1.383 -6.205 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.155 0.326 -6.514 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -6.556 -0.710 -4.027 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.841 -0.719 -4.387 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -6.709 2.090 -5.736 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.324 1.301 -7.207 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -8.016 0.888 -5.621 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -5.389 1.082 -2.776 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -4.797 1.772 -4.306 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.539 1.781 -3.940 1.00 0.00 H new ATOM 120 N ILE A 8 -5.572 -1.645 -8.725 1.00 0.00 N ATOM 121 CA ILE A 8 -5.481 -1.646 -10.172 1.00 0.00 C ATOM 122 C ILE A 8 -6.302 -2.795 -10.738 1.00 0.00 C ATOM 123 O ILE A 8 -7.007 -2.626 -11.730 1.00 0.00 O ATOM 124 CB ILE A 8 -4.018 -1.768 -10.588 1.00 0.00 C ATOM 125 CG1 ILE A 8 -3.314 -0.431 -10.376 1.00 0.00 C ATOM 126 CG2 ILE A 8 -3.940 -2.156 -12.062 1.00 0.00 C ATOM 127 CD1 ILE A 8 -1.803 -0.641 -10.401 1.00 0.00 C ATOM 0 H ILE A 8 -4.748 -2.017 -8.253 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.880 -0.712 -10.568 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.531 -2.533 -9.984 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.607 0.273 -11.155 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.616 0.004 -9.423 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.895 -2.243 -12.360 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.442 -3.112 -12.214 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.427 -1.390 -12.666 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.300 0.314 -10.250 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.518 -1.331 -9.607 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.509 -1.057 -11.365 1.00 0.00 H new ATOM 139 N ILE A 9 -6.209 -3.967 -10.105 1.00 0.00 N ATOM 140 CA ILE A 9 -6.943 -5.137 -10.546 1.00 0.00 C ATOM 141 C ILE A 9 -8.401 -5.018 -10.126 1.00 0.00 C ATOM 142 O ILE A 9 -9.276 -5.629 -10.736 1.00 0.00 O ATOM 143 CB ILE A 9 -6.307 -6.390 -9.950 1.00 0.00 C ATOM 144 CG1 ILE A 9 -4.831 -6.442 -10.331 1.00 0.00 C ATOM 145 CG2 ILE A 9 -7.017 -7.627 -10.493 1.00 0.00 C ATOM 146 CD1 ILE A 9 -4.077 -7.311 -9.327 1.00 0.00 C ATOM 0 H ILE A 9 -5.627 -4.123 -9.282 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.904 -5.209 -11.633 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.401 -6.364 -8.864 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.718 -6.848 -11.336 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.412 -5.436 -10.344 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.564 -8.523 -10.068 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.072 -7.590 -10.221 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.923 -7.653 -11.579 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.022 -7.349 -9.599 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.180 -6.886 -8.329 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.490 -8.320 -9.336 1.00 0.00 H new ATOM 158 N LEU A 10 -8.661 -4.229 -9.081 1.00 0.00 N ATOM 159 CA LEU A 10 -10.010 -4.035 -8.586 1.00 0.00 C ATOM 160 C LEU A 10 -10.690 -2.919 -9.366 1.00 0.00 C ATOM 161 O LEU A 10 -11.821 -3.076 -9.821 1.00 0.00 O ATOM 162 CB LEU A 10 -9.961 -3.702 -7.098 1.00 0.00 C ATOM 163 CG LEU A 10 -9.721 -4.979 -6.299 1.00 0.00 C ATOM 164 CD1 LEU A 10 -9.910 -4.692 -4.812 1.00 0.00 C ATOM 165 CD2 LEU A 10 -10.715 -6.050 -6.741 1.00 0.00 C ATOM 0 H LEU A 10 -7.946 -3.716 -8.565 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.587 -4.950 -8.722 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.166 -2.982 -6.901 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.896 -3.236 -6.788 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.705 -5.332 -6.474 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -9.739 -5.604 -4.241 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.200 -3.927 -4.496 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -10.926 -4.339 -4.636 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -10.544 -6.963 -6.170 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.731 -5.698 -6.566 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.580 -6.255 -7.803 1.00 0.00 H new ATOM 177 N GLU A 11 -9.997 -1.788 -9.521 1.00 0.00 N ATOM 178 CA GLU A 11 -10.538 -0.656 -10.246 1.00 0.00 C ATOM 179 C GLU A 11 -10.876 -1.065 -11.672 1.00 0.00 C ATOM 180 O GLU A 11 -11.915 -0.680 -12.204 1.00 0.00 O ATOM 181 CB GLU A 11 -9.523 0.484 -10.236 1.00 0.00 C ATOM 182 CG GLU A 11 -9.497 1.130 -8.854 1.00 0.00 C ATOM 183 CD GLU A 11 -10.725 2.002 -8.638 1.00 0.00 C ATOM 184 OE1 GLU A 11 -11.277 2.468 -9.659 1.00 0.00 O ATOM 185 OE2 GLU A 11 -11.090 2.188 -7.457 1.00 0.00 O ATOM 0 H GLU A 11 -9.058 -1.640 -9.150 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.454 -0.316 -9.763 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.533 0.106 -10.491 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.785 1.225 -10.991 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.456 0.356 -8.087 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.595 1.733 -8.747 1.00 0.00 H new ATOM 193 N GLY A 12 -9.992 -1.851 -12.293 1.00 0.00 N ATOM 194 CA GLY A 12 -10.202 -2.307 -13.652 1.00 0.00 C ATOM 195 C GLY A 12 -11.292 -3.369 -13.689 1.00 0.00 C ATOM 196 O GLY A 12 -12.282 -3.225 -14.404 1.00 0.00 O ATOM 0 H GLY A 12 -9.125 -2.180 -11.867 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.482 -1.466 -14.286 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.274 -2.714 -14.054 1.00 0.00 H new ATOM 200 N THR A 13 -11.108 -4.440 -12.915 1.00 0.00 N ATOM 201 CA THR A 13 -12.074 -5.518 -12.864 1.00 0.00 C ATOM 202 C THR A 13 -13.432 -4.978 -12.439 1.00 0.00 C ATOM 203 O THR A 13 -14.466 -5.557 -12.767 1.00 0.00 O ATOM 204 CB THR A 13 -11.591 -6.588 -11.889 1.00 0.00 C ATOM 205 OG1 THR A 13 -10.439 -7.213 -12.411 1.00 0.00 O ATOM 206 CG2 THR A 13 -12.688 -7.630 -11.691 1.00 0.00 C ATOM 0 H THR A 13 -10.293 -4.576 -12.316 1.00 0.00 H new ATOM 0 HA THR A 13 -12.176 -5.964 -13.853 1.00 0.00 H new ATOM 0 HB THR A 13 -11.353 -6.125 -10.931 1.00 0.00 H new ATOM 0 HG1 THR A 13 -9.650 -6.914 -11.912 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.343 -8.394 -10.995 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.579 -7.148 -11.288 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.927 -8.093 -12.648 1.00 0.00 H new ATOM 214 N ALA A 14 -13.427 -3.861 -11.707 1.00 0.00 N ATOM 215 CA ALA A 14 -14.654 -3.247 -11.241 1.00 0.00 C ATOM 216 C ALA A 14 -15.424 -2.673 -12.421 1.00 0.00 C ATOM 217 O ALA A 14 -16.536 -3.109 -12.711 1.00 0.00 O ATOM 218 CB ALA A 14 -14.322 -2.155 -10.228 1.00 0.00 C ATOM 0 H ALA A 14 -12.579 -3.368 -11.428 1.00 0.00 H new ATOM 0 HA ALA A 14 -15.279 -3.996 -10.756 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.244 -1.692 -9.877 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.790 -2.592 -9.383 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.694 -1.400 -10.700 1.00 0.00 H new ATOM 224 N VAL A 15 -14.830 -1.690 -13.102 1.00 0.00 N ATOM 225 CA VAL A 15 -15.460 -1.061 -14.245 1.00 0.00 C ATOM 226 C VAL A 15 -15.541 -2.052 -15.398 1.00 0.00 C ATOM 227 O VAL A 15 -16.355 -1.888 -16.304 1.00 0.00 O ATOM 228 CB VAL A 15 -14.663 0.175 -14.649 1.00 0.00 C ATOM 229 CG1 VAL A 15 -15.542 1.096 -15.491 1.00 0.00 C ATOM 230 CG2 VAL A 15 -14.204 0.916 -13.396 1.00 0.00 C ATOM 0 H VAL A 15 -13.909 -1.317 -12.873 1.00 0.00 H new ATOM 0 HA VAL A 15 -16.473 -0.753 -13.984 1.00 0.00 H new ATOM 0 HB VAL A 15 -13.793 -0.129 -15.231 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -14.972 1.979 -15.779 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -15.870 0.568 -16.386 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -16.412 1.400 -14.910 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -13.634 1.800 -13.684 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -15.074 1.219 -12.813 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -13.576 0.259 -12.795 1.00 0.00 H new ATOM 240 N ILE A 16 -14.693 -3.083 -15.362 1.00 0.00 N ATOM 241 CA ILE A 16 -14.673 -4.094 -16.400 1.00 0.00 C ATOM 242 C ILE A 16 -15.850 -5.042 -16.218 1.00 0.00 C ATOM 243 O ILE A 16 -16.737 -5.101 -17.067 1.00 0.00 O ATOM 244 CB ILE A 16 -13.351 -4.855 -16.342 1.00 0.00 C ATOM 245 CG1 ILE A 16 -12.244 -4.001 -16.953 1.00 0.00 C ATOM 246 CG2 ILE A 16 -13.480 -6.158 -17.125 1.00 0.00 C ATOM 247 CD1 ILE A 16 -10.888 -4.499 -16.464 1.00 0.00 C ATOM 0 H ILE A 16 -14.012 -3.232 -14.618 1.00 0.00 H new ATOM 0 HA ILE A 16 -14.761 -3.620 -17.378 1.00 0.00 H new ATOM 0 HB ILE A 16 -13.105 -5.078 -15.304 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -12.291 -4.050 -18.041 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -12.381 -2.956 -16.675 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -12.536 -6.702 -17.084 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -14.270 -6.769 -16.688 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -13.726 -5.936 -18.163 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -10.097 -3.889 -16.901 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.844 -4.427 -15.377 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.752 -5.538 -16.764 1.00 0.00 H new ATOM 259 N ALA A 17 -15.856 -5.784 -15.108 1.00 0.00 N ATOM 260 CA ALA A 17 -16.922 -6.723 -14.823 1.00 0.00 C ATOM 261 C ALA A 17 -18.270 -6.032 -14.963 1.00 0.00 C ATOM 262 O ALA A 17 -19.255 -6.657 -15.350 1.00 0.00 O ATOM 263 CB ALA A 17 -16.744 -7.280 -13.414 1.00 0.00 C ATOM 0 H ALA A 17 -15.128 -5.746 -14.395 1.00 0.00 H new ATOM 0 HA ALA A 17 -16.884 -7.548 -15.534 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -17.545 -7.987 -13.198 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -15.783 -7.789 -13.343 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -16.777 -6.463 -12.693 1.00 0.00 H new ATOM 269 N MET A 18 -18.314 -4.735 -14.647 1.00 0.00 N ATOM 270 CA MET A 18 -19.540 -3.969 -14.738 1.00 0.00 C ATOM 271 C MET A 18 -19.982 -3.869 -16.190 1.00 0.00 C ATOM 272 O MET A 18 -21.072 -4.314 -16.544 1.00 0.00 O ATOM 273 CB MET A 18 -19.316 -2.581 -14.145 1.00 0.00 C ATOM 274 CG MET A 18 -19.652 -2.602 -12.657 1.00 0.00 C ATOM 275 SD MET A 18 -19.892 -0.960 -11.934 1.00 0.00 S ATOM 276 CE MET A 18 -20.815 -0.182 -13.282 1.00 0.00 C ATOM 0 H MET A 18 -17.507 -4.200 -14.326 1.00 0.00 H new ATOM 0 HA MET A 18 -20.327 -4.469 -14.174 1.00 0.00 H new ATOM 0 HB2 MET A 18 -18.280 -2.275 -14.290 1.00 0.00 H new ATOM 0 HB3 MET A 18 -19.940 -1.850 -14.659 1.00 0.00 H new ATOM 0 HG2 MET A 18 -20.558 -3.190 -12.508 1.00 0.00 H new ATOM 0 HG3 MET A 18 -18.850 -3.110 -12.121 1.00 0.00 H new ATOM 0 HE1 MET A 18 -21.366 0.676 -12.898 1.00 0.00 H new ATOM 0 HE2 MET A 18 -20.121 0.149 -14.055 1.00 0.00 H new ATOM 0 HE3 MET A 18 -21.515 -0.902 -13.707 1.00 0.00 H new ATOM 656 N THR B 103 -8.700 -3.979 5.995 1.00 0.00 N ATOM 657 CA THR B 103 -9.125 -4.173 4.623 1.00 0.00 C ATOM 658 C THR B 103 -10.167 -3.128 4.250 1.00 0.00 C ATOM 659 O THR B 103 -10.072 -2.498 3.199 1.00 0.00 O ATOM 660 CB THR B 103 -9.690 -5.581 4.462 1.00 0.00 C ATOM 661 OG1 THR B 103 -8.962 -6.476 5.273 1.00 0.00 O ATOM 662 CG2 THR B 103 -9.577 -6.011 3.002 1.00 0.00 C ATOM 0 HA THR B 103 -8.271 -4.058 3.955 1.00 0.00 H new ATOM 0 HB THR B 103 -10.738 -5.588 4.763 1.00 0.00 H new ATOM 0 HG1 THR B 103 -8.563 -5.987 6.023 1.00 0.00 H new ATOM 0 HG21 THR B 103 -9.981 -7.017 2.887 1.00 0.00 H new ATOM 0 HG22 THR B 103 -10.140 -5.320 2.375 1.00 0.00 H new ATOM 0 HG23 THR B 103 -8.530 -6.004 2.701 1.00 0.00 H new ATOM 670 N ASN B 104 -11.165 -2.946 5.117 1.00 0.00 N ATOM 671 CA ASN B 104 -12.218 -1.979 4.876 1.00 0.00 C ATOM 672 C ASN B 104 -11.624 -0.692 4.321 1.00 0.00 C ATOM 673 O ASN B 104 -12.121 -0.148 3.338 1.00 0.00 O ATOM 674 CB ASN B 104 -12.968 -1.711 6.178 1.00 0.00 C ATOM 675 CG ASN B 104 -13.617 -0.335 6.157 1.00 0.00 C ATOM 676 OD1 ASN B 104 -14.582 -0.113 5.429 1.00 0.00 O ATOM 677 ND2 ASN B 104 -13.087 0.590 6.961 1.00 0.00 N ATOM 0 H ASN B 104 -11.259 -3.461 5.992 1.00 0.00 H new ATOM 0 HA ASN B 104 -12.919 -2.376 4.142 1.00 0.00 H new ATOM 0 HB2 ASN B 104 -13.731 -2.475 6.327 1.00 0.00 H new ATOM 0 HB3 ASN B 104 -12.279 -1.780 7.020 1.00 0.00 H new ATOM 0 HD21 ASN B 104 -13.484 1.529 6.989 1.00 0.00 H new ATOM 0 HD22 ASN B 104 -12.285 0.357 7.547 1.00 0.00 H new ATOM 684 N LEU B 105 -10.555 -0.206 4.957 1.00 0.00 N ATOM 685 CA LEU B 105 -9.897 1.011 4.527 1.00 0.00 C ATOM 686 C LEU B 105 -9.775 1.024 3.009 1.00 0.00 C ATOM 687 O LEU B 105 -10.141 2.003 2.362 1.00 0.00 O ATOM 688 CB LEU B 105 -8.522 1.104 5.180 1.00 0.00 C ATOM 689 CG LEU B 105 -8.653 1.762 6.551 1.00 0.00 C ATOM 690 CD1 LEU B 105 -7.265 1.976 7.148 1.00 0.00 C ATOM 691 CD2 LEU B 105 -9.357 3.107 6.404 1.00 0.00 C ATOM 0 H LEU B 105 -10.132 -0.646 5.774 1.00 0.00 H new ATOM 0 HA LEU B 105 -10.488 1.875 4.832 1.00 0.00 H new ATOM 0 HB2 LEU B 105 -8.088 0.109 5.282 1.00 0.00 H new ATOM 0 HB3 LEU B 105 -7.847 1.683 4.550 1.00 0.00 H new ATOM 0 HG LEU B 105 -9.235 1.117 7.209 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -7.359 2.446 8.127 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -6.762 1.015 7.253 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -6.682 2.620 6.490 1.00 0.00 H new ATOM 0 HD21 LEU B 105 -9.451 3.577 7.383 1.00 0.00 H new ATOM 0 HD22 LEU B 105 -8.775 3.752 5.746 1.00 0.00 H new ATOM 0 HD23 LEU B 105 -10.349 2.954 5.978 1.00 0.00 H new ATOM 703 N GLU B 106 -9.258 -0.068 2.442 1.00 0.00 N ATOM 704 CA GLU B 106 -9.093 -0.175 1.006 1.00 0.00 C ATOM 705 C GLU B 106 -10.455 -0.199 0.327 1.00 0.00 C ATOM 706 O GLU B 106 -10.603 0.290 -0.791 1.00 0.00 O ATOM 707 CB GLU B 106 -8.304 -1.440 0.680 1.00 0.00 C ATOM 708 CG GLU B 106 -6.844 -1.247 1.080 1.00 0.00 C ATOM 709 CD GLU B 106 -6.738 -0.534 2.420 1.00 0.00 C ATOM 710 OE1 GLU B 106 -6.533 -1.245 3.427 1.00 0.00 O ATOM 711 OE2 GLU B 106 -6.865 0.710 2.413 1.00 0.00 O ATOM 0 H GLU B 106 -8.948 -0.888 2.964 1.00 0.00 H new ATOM 0 HA GLU B 106 -8.542 0.689 0.635 1.00 0.00 H new ATOM 0 HB2 GLU B 106 -8.728 -2.293 1.211 1.00 0.00 H new ATOM 0 HB3 GLU B 106 -8.374 -1.661 -0.385 1.00 0.00 H new ATOM 0 HG2 GLU B 106 -6.348 -2.216 1.139 1.00 0.00 H new ATOM 0 HG3 GLU B 106 -6.326 -0.669 0.314 1.00 0.00 H new ATOM 719 N ILE B 107 -11.452 -0.769 1.007 1.00 0.00 N ATOM 720 CA ILE B 107 -12.796 -0.853 0.472 1.00 0.00 C ATOM 721 C ILE B 107 -13.377 0.545 0.319 1.00 0.00 C ATOM 722 O ILE B 107 -14.201 0.783 -0.561 1.00 0.00 O ATOM 723 CB ILE B 107 -13.660 -1.701 1.401 1.00 0.00 C ATOM 724 CG1 ILE B 107 -12.906 -2.972 1.781 1.00 0.00 C ATOM 725 CG2 ILE B 107 -14.957 -2.074 0.688 1.00 0.00 C ATOM 726 CD1 ILE B 107 -13.886 -3.996 2.344 1.00 0.00 C ATOM 0 H ILE B 107 -11.344 -1.179 1.935 1.00 0.00 H new ATOM 0 HA ILE B 107 -12.773 -1.324 -0.511 1.00 0.00 H new ATOM 0 HB ILE B 107 -13.890 -1.132 2.302 1.00 0.00 H new ATOM 0 HG12 ILE B 107 -12.398 -3.381 0.908 1.00 0.00 H new ATOM 0 HG13 ILE B 107 -12.137 -2.744 2.519 1.00 0.00 H new ATOM 0 HG21 ILE B 107 -15.575 -2.680 1.351 1.00 0.00 H new ATOM 0 HG22 ILE B 107 -15.497 -1.167 0.417 1.00 0.00 H new ATOM 0 HG23 ILE B 107 -14.726 -2.642 -0.213 1.00 0.00 H new ATOM 0 HD11 ILE B 107 -13.348 -4.904 2.615 1.00 0.00 H new ATOM 0 HD12 ILE B 107 -14.374 -3.585 3.228 1.00 0.00 H new ATOM 0 HD13 ILE B 107 -14.638 -4.232 1.591 1.00 0.00 H new ATOM 738 N ILE B 108 -12.945 1.471 1.178 1.00 0.00 N ATOM 739 CA ILE B 108 -13.422 2.839 1.134 1.00 0.00 C ATOM 740 C ILE B 108 -12.749 3.582 -0.011 1.00 0.00 C ATOM 741 O ILE B 108 -13.400 4.333 -0.733 1.00 0.00 O ATOM 742 CB ILE B 108 -13.131 3.521 2.468 1.00 0.00 C ATOM 743 CG1 ILE B 108 -14.123 3.030 3.519 1.00 0.00 C ATOM 744 CG2 ILE B 108 -13.267 5.033 2.306 1.00 0.00 C ATOM 745 CD1 ILE B 108 -13.606 3.383 4.910 1.00 0.00 C ATOM 0 H ILE B 108 -12.262 1.288 1.913 1.00 0.00 H new ATOM 0 HA ILE B 108 -14.499 2.849 0.964 1.00 0.00 H new ATOM 0 HB ILE B 108 -12.117 3.279 2.786 1.00 0.00 H new ATOM 0 HG12 ILE B 108 -15.099 3.487 3.355 1.00 0.00 H new ATOM 0 HG13 ILE B 108 -14.257 1.952 3.432 1.00 0.00 H new ATOM 0 HG21 ILE B 108 -13.059 5.521 3.258 1.00 0.00 H new ATOM 0 HG22 ILE B 108 -12.558 5.384 1.556 1.00 0.00 H new ATOM 0 HG23 ILE B 108 -14.281 5.275 1.988 1.00 0.00 H new ATOM 0 HD11 ILE B 108 -14.314 3.033 5.661 1.00 0.00 H new ATOM 0 HD12 ILE B 108 -12.640 2.905 5.071 1.00 0.00 H new ATOM 0 HD13 ILE B 108 -13.494 4.464 4.993 1.00 0.00 H new ATOM 757 N ILE B 109 -11.441 3.371 -0.176 1.00 0.00 N ATOM 758 CA ILE B 109 -10.687 4.018 -1.231 1.00 0.00 C ATOM 759 C ILE B 109 -10.972 3.335 -2.561 1.00 0.00 C ATOM 760 O ILE B 109 -10.818 3.942 -3.618 1.00 0.00 O ATOM 761 CB ILE B 109 -9.198 3.960 -0.901 1.00 0.00 C ATOM 762 CG1 ILE B 109 -8.955 4.589 0.468 1.00 0.00 C ATOM 763 CG2 ILE B 109 -8.412 4.727 -1.960 1.00 0.00 C ATOM 764 CD1 ILE B 109 -7.651 4.051 1.051 1.00 0.00 C ATOM 0 H ILE B 109 -10.887 2.752 0.416 1.00 0.00 H new ATOM 0 HA ILE B 109 -10.987 5.063 -1.310 1.00 0.00 H new ATOM 0 HB ILE B 109 -8.870 2.921 -0.887 1.00 0.00 H new ATOM 0 HG12 ILE B 109 -8.905 5.674 0.378 1.00 0.00 H new ATOM 0 HG13 ILE B 109 -9.785 4.363 1.137 1.00 0.00 H new ATOM 0 HG21 ILE B 109 -7.349 4.686 -1.725 1.00 0.00 H new ATOM 0 HG22 ILE B 109 -8.585 4.278 -2.938 1.00 0.00 H new ATOM 0 HG23 ILE B 109 -8.740 5.766 -1.975 1.00 0.00 H new ATOM 0 HD11 ILE B 109 -7.477 4.500 2.029 1.00 0.00 H new ATOM 0 HD12 ILE B 109 -7.719 2.968 1.156 1.00 0.00 H new ATOM 0 HD13 ILE B 109 -6.825 4.300 0.385 1.00 0.00 H new ATOM 776 N LEU B 110 -11.390 2.068 -2.506 1.00 0.00 N ATOM 777 CA LEU B 110 -11.695 1.310 -3.704 1.00 0.00 C ATOM 778 C LEU B 110 -13.132 1.574 -4.130 1.00 0.00 C ATOM 779 O LEU B 110 -13.396 1.842 -5.300 1.00 0.00 O ATOM 780 CB LEU B 110 -11.475 -0.176 -3.434 1.00 0.00 C ATOM 781 CG LEU B 110 -9.981 -0.484 -3.472 1.00 0.00 C ATOM 782 CD1 LEU B 110 -9.773 -1.996 -3.443 1.00 0.00 C ATOM 783 CD2 LEU B 110 -9.376 0.089 -4.751 1.00 0.00 C ATOM 0 H LEU B 110 -11.523 1.551 -1.637 1.00 0.00 H new ATOM 0 HA LEU B 110 -11.035 1.621 -4.514 1.00 0.00 H new ATOM 0 HB2 LEU B 110 -11.888 -0.445 -2.462 1.00 0.00 H new ATOM 0 HB3 LEU B 110 -12.000 -0.774 -4.180 1.00 0.00 H new ATOM 0 HG LEU B 110 -9.494 -0.034 -2.607 1.00 0.00 H new ATOM 0 HD11 LEU B 110 -8.706 -2.217 -3.470 1.00 0.00 H new ATOM 0 HD12 LEU B 110 -10.205 -2.405 -2.530 1.00 0.00 H new ATOM 0 HD13 LEU B 110 -10.259 -2.447 -4.308 1.00 0.00 H new ATOM 0 HD21 LEU B 110 -8.309 -0.131 -4.779 1.00 0.00 H new ATOM 0 HD22 LEU B 110 -9.862 -0.361 -5.617 1.00 0.00 H new ATOM 0 HD23 LEU B 110 -9.525 1.169 -4.772 1.00 0.00 H new ATOM 795 N GLU B 111 -14.062 1.499 -3.176 1.00 0.00 N ATOM 796 CA GLU B 111 -15.464 1.731 -3.459 1.00 0.00 C ATOM 797 C GLU B 111 -15.655 3.130 -4.028 1.00 0.00 C ATOM 798 O GLU B 111 -16.415 3.322 -4.974 1.00 0.00 O ATOM 799 CB GLU B 111 -16.276 1.554 -2.179 1.00 0.00 C ATOM 800 CG GLU B 111 -16.398 0.067 -1.856 1.00 0.00 C ATOM 801 CD GLU B 111 -17.399 -0.609 -2.780 1.00 0.00 C ATOM 802 OE1 GLU B 111 -18.294 0.112 -3.273 1.00 0.00 O ATOM 803 OE2 GLU B 111 -17.251 -1.834 -2.978 1.00 0.00 O ATOM 0 H GLU B 111 -13.860 1.278 -2.201 1.00 0.00 H new ATOM 0 HA GLU B 111 -15.812 1.010 -4.199 1.00 0.00 H new ATOM 0 HB2 GLU B 111 -15.793 2.078 -1.354 1.00 0.00 H new ATOM 0 HB3 GLU B 111 -17.266 1.993 -2.300 1.00 0.00 H new ATOM 0 HG2 GLU B 111 -15.424 -0.412 -1.956 1.00 0.00 H new ATOM 0 HG3 GLU B 111 -16.711 -0.060 -0.820 1.00 0.00 H new ATOM 811 N GLY B 112 -14.958 4.110 -3.448 1.00 0.00 N ATOM 812 CA GLY B 112 -15.054 5.483 -3.901 1.00 0.00 C ATOM 813 C GLY B 112 -14.335 5.651 -5.233 1.00 0.00 C ATOM 814 O GLY B 112 -14.928 6.099 -6.211 1.00 0.00 O ATOM 0 H GLY B 112 -14.322 3.969 -2.663 1.00 0.00 H new ATOM 0 HA2 GLY B 112 -16.101 5.766 -4.007 1.00 0.00 H new ATOM 0 HA3 GLY B 112 -14.617 6.150 -3.158 1.00 0.00 H new ATOM 818 N THR B 113 -13.051 5.289 -5.266 1.00 0.00 N ATOM 819 CA THR B 113 -12.260 5.401 -6.475 1.00 0.00 C ATOM 820 C THR B 113 -12.906 4.596 -7.594 1.00 0.00 C ATOM 821 O THR B 113 -12.717 4.897 -8.770 1.00 0.00 O ATOM 822 CB THR B 113 -10.843 4.905 -6.203 1.00 0.00 C ATOM 823 OG1 THR B 113 -10.200 5.789 -5.312 1.00 0.00 O ATOM 824 CG2 THR B 113 -10.063 4.847 -7.513 1.00 0.00 C ATOM 0 H THR B 113 -12.544 4.916 -4.464 1.00 0.00 H new ATOM 0 HA THR B 113 -12.214 6.445 -6.786 1.00 0.00 H new ATOM 0 HB THR B 113 -10.885 3.909 -5.762 1.00 0.00 H new ATOM 0 HG1 THR B 113 -10.215 5.411 -4.408 1.00 0.00 H new ATOM 0 HG21 THR B 113 -9.051 4.493 -7.318 1.00 0.00 H new ATOM 0 HG22 THR B 113 -10.560 4.165 -8.202 1.00 0.00 H new ATOM 0 HG23 THR B 113 -10.020 5.842 -7.955 1.00 0.00 H new ATOM 832 N ALA B 114 -13.673 3.568 -7.223 1.00 0.00 N ATOM 833 CA ALA B 114 -14.343 2.724 -8.192 1.00 0.00 C ATOM 834 C ALA B 114 -15.441 3.513 -8.890 1.00 0.00 C ATOM 835 O ALA B 114 -15.386 3.720 -10.100 1.00 0.00 O ATOM 836 CB ALA B 114 -14.921 1.501 -7.486 1.00 0.00 C ATOM 0 H ALA B 114 -13.841 3.306 -6.252 1.00 0.00 H new ATOM 0 HA ALA B 114 -13.629 2.389 -8.945 1.00 0.00 H new ATOM 0 HB1 ALA B 114 -15.425 0.865 -8.214 1.00 0.00 H new ATOM 0 HB2 ALA B 114 -14.116 0.941 -7.011 1.00 0.00 H new ATOM 0 HB3 ALA B 114 -15.636 1.822 -6.728 1.00 0.00 H new ATOM 842 N VAL B 115 -16.442 3.953 -8.123 1.00 0.00 N ATOM 843 CA VAL B 115 -17.546 4.715 -8.670 1.00 0.00 C ATOM 844 C VAL B 115 -17.055 6.082 -9.122 1.00 0.00 C ATOM 845 O VAL B 115 -17.693 6.732 -9.948 1.00 0.00 O ATOM 846 CB VAL B 115 -18.639 4.854 -7.614 1.00 0.00 C ATOM 847 CG1 VAL B 115 -19.960 5.205 -8.292 1.00 0.00 C ATOM 848 CG2 VAL B 115 -18.788 3.536 -6.860 1.00 0.00 C ATOM 0 H VAL B 115 -16.502 3.789 -7.118 1.00 0.00 H new ATOM 0 HA VAL B 115 -17.959 4.196 -9.535 1.00 0.00 H new ATOM 0 HB VAL B 115 -18.369 5.645 -6.914 1.00 0.00 H new ATOM 0 HG11 VAL B 115 -20.741 5.304 -7.538 1.00 0.00 H new ATOM 0 HG12 VAL B 115 -19.854 6.147 -8.830 1.00 0.00 H new ATOM 0 HG13 VAL B 115 -20.231 4.415 -8.993 1.00 0.00 H new ATOM 0 HG21 VAL B 115 -19.569 3.635 -6.106 1.00 0.00 H new ATOM 0 HG22 VAL B 115 -19.058 2.745 -7.560 1.00 0.00 H new ATOM 0 HG23 VAL B 115 -17.844 3.285 -6.375 1.00 0.00 H new ATOM 858 N ILE B 116 -15.915 6.519 -8.579 1.00 0.00 N ATOM 859 CA ILE B 116 -15.342 7.803 -8.929 1.00 0.00 C ATOM 860 C ILE B 116 -14.675 7.715 -10.294 1.00 0.00 C ATOM 861 O ILE B 116 -15.107 8.369 -11.241 1.00 0.00 O ATOM 862 CB ILE B 116 -14.336 8.218 -7.859 1.00 0.00 C ATOM 863 CG1 ILE B 116 -15.080 8.728 -6.629 1.00 0.00 C ATOM 864 CG2 ILE B 116 -13.440 9.325 -8.407 1.00 0.00 C ATOM 865 CD1 ILE B 116 -14.159 8.667 -5.415 1.00 0.00 C ATOM 0 H ILE B 116 -15.375 5.992 -7.892 1.00 0.00 H new ATOM 0 HA ILE B 116 -16.128 8.556 -8.980 1.00 0.00 H new ATOM 0 HB ILE B 116 -13.725 7.359 -7.582 1.00 0.00 H new ATOM 0 HG12 ILE B 116 -15.416 9.752 -6.793 1.00 0.00 H new ATOM 0 HG13 ILE B 116 -15.971 8.125 -6.454 1.00 0.00 H new ATOM 0 HG21 ILE B 116 -12.721 9.622 -7.644 1.00 0.00 H new ATOM 0 HG22 ILE B 116 -12.907 8.960 -9.285 1.00 0.00 H new ATOM 0 HG23 ILE B 116 -14.051 10.184 -8.684 1.00 0.00 H new ATOM 0 HD11 ILE B 116 -14.691 9.032 -4.536 1.00 0.00 H new ATOM 0 HD12 ILE B 116 -13.845 7.637 -5.248 1.00 0.00 H new ATOM 0 HD13 ILE B 116 -13.282 9.289 -5.592 1.00 0.00 H new ATOM 877 N ALA B 117 -13.620 6.903 -10.394 1.00 0.00 N ATOM 878 CA ALA B 117 -12.900 6.735 -11.640 1.00 0.00 C ATOM 879 C ALA B 117 -13.878 6.410 -12.760 1.00 0.00 C ATOM 880 O ALA B 117 -13.656 6.785 -13.910 1.00 0.00 O ATOM 881 CB ALA B 117 -11.868 5.622 -11.484 1.00 0.00 C ATOM 0 H ALA B 117 -13.251 6.353 -9.618 1.00 0.00 H new ATOM 0 HA ALA B 117 -12.382 7.660 -11.893 1.00 0.00 H new ATOM 0 HB1 ALA B 117 -11.326 5.495 -12.421 1.00 0.00 H new ATOM 0 HB2 ALA B 117 -11.167 5.884 -10.692 1.00 0.00 H new ATOM 0 HB3 ALA B 117 -12.373 4.691 -11.228 1.00 0.00 H new ATOM 887 N MET B 118 -14.963 5.710 -12.423 1.00 0.00 N ATOM 888 CA MET B 118 -15.965 5.338 -13.401 1.00 0.00 C ATOM 889 C MET B 118 -16.647 6.586 -13.945 1.00 0.00 C ATOM 890 O MET B 118 -16.606 6.848 -15.145 1.00 0.00 O ATOM 891 CB MET B 118 -16.985 4.405 -12.754 1.00 0.00 C ATOM 892 CG MET B 118 -16.535 2.958 -12.932 1.00 0.00 C ATOM 893 SD MET B 118 -17.848 1.742 -12.662 1.00 0.00 S ATOM 894 CE MET B 118 -19.213 2.603 -13.482 1.00 0.00 C ATOM 0 H MET B 118 -15.163 5.392 -11.475 1.00 0.00 H new ATOM 0 HA MET B 118 -15.489 4.817 -14.232 1.00 0.00 H new ATOM 0 HB2 MET B 118 -17.086 4.638 -11.694 1.00 0.00 H new ATOM 0 HB3 MET B 118 -17.966 4.551 -13.207 1.00 0.00 H new ATOM 0 HG2 MET B 118 -16.139 2.833 -13.940 1.00 0.00 H new ATOM 0 HG3 MET B 118 -15.717 2.755 -12.241 1.00 0.00 H new ATOM 0 HE1 MET B 118 -20.053 1.919 -13.605 1.00 0.00 H new ATOM 0 HE2 MET B 118 -19.524 3.453 -12.875 1.00 0.00 H new ATOM 0 HE3 MET B 118 -18.886 2.956 -14.460 1.00 0.00 H new ATOM 1274 N THR C 203 -6.426 -12.095 -1.095 1.00 0.00 N ATOM 1275 CA THR C 203 -6.817 -10.827 -1.678 1.00 0.00 C ATOM 1276 C THR C 203 -8.128 -10.986 -2.434 1.00 0.00 C ATOM 1277 O THR C 203 -9.045 -10.183 -2.271 1.00 0.00 O ATOM 1278 CB THR C 203 -5.713 -10.335 -2.609 1.00 0.00 C ATOM 1279 OG1 THR C 203 -4.456 -10.686 -2.074 1.00 0.00 O ATOM 1280 CG2 THR C 203 -5.801 -8.818 -2.746 1.00 0.00 C ATOM 0 HA THR C 203 -6.965 -10.091 -0.888 1.00 0.00 H new ATOM 0 HB THR C 203 -5.833 -10.796 -3.589 1.00 0.00 H new ATOM 0 HG1 THR C 203 -4.530 -11.540 -1.599 1.00 0.00 H new ATOM 0 HG21 THR C 203 -5.012 -8.466 -3.411 1.00 0.00 H new ATOM 0 HG22 THR C 203 -6.772 -8.546 -3.159 1.00 0.00 H new ATOM 0 HG23 THR C 203 -5.681 -8.357 -1.766 1.00 0.00 H new ATOM 1288 N ASN C 204 -8.215 -12.027 -3.265 1.00 0.00 N ATOM 1289 CA ASN C 204 -9.411 -12.287 -4.040 1.00 0.00 C ATOM 1290 C ASN C 204 -10.646 -12.065 -3.179 1.00 0.00 C ATOM 1291 O ASN C 204 -11.592 -11.403 -3.601 1.00 0.00 O ATOM 1292 CB ASN C 204 -9.372 -13.718 -4.570 1.00 0.00 C ATOM 1293 CG ASN C 204 -10.777 -14.240 -4.829 1.00 0.00 C ATOM 1294 OD1 ASN C 204 -11.443 -13.798 -5.762 1.00 0.00 O ATOM 1295 ND2 ASN C 204 -11.227 -15.186 -4.001 1.00 0.00 N ATOM 0 H ASN C 204 -7.464 -12.701 -3.413 1.00 0.00 H new ATOM 0 HA ASN C 204 -9.455 -11.600 -4.885 1.00 0.00 H new ATOM 0 HB2 ASN C 204 -8.791 -13.753 -5.492 1.00 0.00 H new ATOM 0 HB3 ASN C 204 -8.867 -14.363 -3.851 1.00 0.00 H new ATOM 0 HD21 ASN C 204 -12.162 -15.574 -4.129 1.00 0.00 H new ATOM 0 HD22 ASN C 204 -10.636 -15.521 -3.240 1.00 0.00 H new ATOM 1302 N LEU C 205 -10.635 -12.622 -1.965 1.00 0.00 N ATOM 1303 CA LEU C 205 -11.750 -12.484 -1.050 1.00 0.00 C ATOM 1304 C LEU C 205 -12.259 -11.049 -1.069 1.00 0.00 C ATOM 1305 O LEU C 205 -13.456 -10.814 -1.219 1.00 0.00 O ATOM 1306 CB LEU C 205 -11.306 -12.881 0.355 1.00 0.00 C ATOM 1307 CG LEU C 205 -11.461 -14.389 0.530 1.00 0.00 C ATOM 1308 CD1 LEU C 205 -11.145 -14.769 1.973 1.00 0.00 C ATOM 1309 CD2 LEU C 205 -12.895 -14.795 0.198 1.00 0.00 C ATOM 0 H LEU C 205 -9.858 -13.173 -1.600 1.00 0.00 H new ATOM 0 HA LEU C 205 -12.563 -13.141 -1.360 1.00 0.00 H new ATOM 0 HB2 LEU C 205 -10.268 -12.590 0.516 1.00 0.00 H new ATOM 0 HB3 LEU C 205 -11.903 -12.354 1.099 1.00 0.00 H new ATOM 0 HG LEU C 205 -10.773 -14.905 -0.140 1.00 0.00 H new ATOM 0 HD11 LEU C 205 -11.256 -15.846 2.098 1.00 0.00 H new ATOM 0 HD12 LEU C 205 -10.121 -14.479 2.210 1.00 0.00 H new ATOM 0 HD13 LEU C 205 -11.832 -14.253 2.644 1.00 0.00 H new ATOM 0 HD21 LEU C 205 -13.006 -15.872 0.323 1.00 0.00 H new ATOM 0 HD22 LEU C 205 -13.583 -14.279 0.867 1.00 0.00 H new ATOM 0 HD23 LEU C 205 -13.120 -14.524 -0.833 1.00 0.00 H new ATOM 1321 N GLU C 206 -11.345 -10.088 -0.916 1.00 0.00 N ATOM 1322 CA GLU C 206 -11.707 -8.685 -0.918 1.00 0.00 C ATOM 1323 C GLU C 206 -12.219 -8.283 -2.294 1.00 0.00 C ATOM 1324 O GLU C 206 -13.083 -7.417 -2.410 1.00 0.00 O ATOM 1325 CB GLU C 206 -10.493 -7.848 -0.526 1.00 0.00 C ATOM 1326 CG GLU C 206 -10.211 -8.025 0.963 1.00 0.00 C ATOM 1327 CD GLU C 206 -10.372 -9.481 1.376 1.00 0.00 C ATOM 1328 OE1 GLU C 206 -9.328 -10.162 1.473 1.00 0.00 O ATOM 1329 OE2 GLU C 206 -11.535 -9.886 1.587 1.00 0.00 O ATOM 0 H GLU C 206 -10.349 -10.265 -0.789 1.00 0.00 H new ATOM 0 HA GLU C 206 -12.503 -8.510 -0.194 1.00 0.00 H new ATOM 0 HB2 GLU C 206 -9.624 -8.152 -1.110 1.00 0.00 H new ATOM 0 HB3 GLU C 206 -10.675 -6.797 -0.750 1.00 0.00 H new ATOM 0 HG2 GLU C 206 -9.199 -7.689 1.188 1.00 0.00 H new ATOM 0 HG3 GLU C 206 -10.891 -7.401 1.543 1.00 0.00 H new ATOM 1337 N ILE C 207 -11.681 -8.916 -3.339 1.00 0.00 N ATOM 1338 CA ILE C 207 -12.084 -8.626 -4.701 1.00 0.00 C ATOM 1339 C ILE C 207 -13.540 -9.020 -4.902 1.00 0.00 C ATOM 1340 O ILE C 207 -14.241 -8.418 -5.712 1.00 0.00 O ATOM 1341 CB ILE C 207 -11.179 -9.382 -5.670 1.00 0.00 C ATOM 1342 CG1 ILE C 207 -9.723 -9.209 -5.248 1.00 0.00 C ATOM 1343 CG2 ILE C 207 -11.369 -8.829 -7.080 1.00 0.00 C ATOM 1344 CD1 ILE C 207 -8.808 -9.589 -6.409 1.00 0.00 C ATOM 0 H ILE C 207 -10.962 -9.635 -3.258 1.00 0.00 H new ATOM 0 HA ILE C 207 -11.988 -7.558 -4.894 1.00 0.00 H new ATOM 0 HB ILE C 207 -11.437 -10.441 -5.657 1.00 0.00 H new ATOM 0 HG12 ILE C 207 -9.540 -8.177 -4.950 1.00 0.00 H new ATOM 0 HG13 ILE C 207 -9.508 -9.834 -4.382 1.00 0.00 H new ATOM 0 HG21 ILE C 207 -10.723 -9.368 -7.773 1.00 0.00 H new ATOM 0 HG22 ILE C 207 -12.409 -8.953 -7.382 1.00 0.00 H new ATOM 0 HG23 ILE C 207 -11.111 -7.770 -7.093 1.00 0.00 H new ATOM 0 HD11 ILE C 207 -7.768 -9.466 -6.108 1.00 0.00 H new ATOM 0 HD12 ILE C 207 -8.985 -10.628 -6.686 1.00 0.00 H new ATOM 0 HD13 ILE C 207 -9.017 -8.945 -7.263 1.00 0.00 H new ATOM 1356 N ILE C 208 -13.994 -10.035 -4.163 1.00 0.00 N ATOM 1357 CA ILE C 208 -15.362 -10.503 -4.261 1.00 0.00 C ATOM 1358 C ILE C 208 -16.288 -9.546 -3.523 1.00 0.00 C ATOM 1359 O ILE C 208 -17.366 -9.219 -4.016 1.00 0.00 O ATOM 1360 CB ILE C 208 -15.461 -11.910 -3.678 1.00 0.00 C ATOM 1361 CG1 ILE C 208 -14.867 -12.912 -4.664 1.00 0.00 C ATOM 1362 CG2 ILE C 208 -16.926 -12.253 -3.423 1.00 0.00 C ATOM 1363 CD1 ILE C 208 -14.594 -14.231 -3.946 1.00 0.00 C ATOM 0 H ILE C 208 -13.424 -10.545 -3.489 1.00 0.00 H new ATOM 0 HA ILE C 208 -15.665 -10.536 -5.307 1.00 0.00 H new ATOM 0 HB ILE C 208 -14.909 -11.954 -2.739 1.00 0.00 H new ATOM 0 HG12 ILE C 208 -15.555 -13.073 -5.494 1.00 0.00 H new ATOM 0 HG13 ILE C 208 -13.943 -12.518 -5.087 1.00 0.00 H new ATOM 0 HG21 ILE C 208 -16.997 -13.258 -3.007 1.00 0.00 H new ATOM 0 HG22 ILE C 208 -17.350 -11.537 -2.719 1.00 0.00 H new ATOM 0 HG23 ILE C 208 -17.479 -12.209 -4.361 1.00 0.00 H new ATOM 0 HD11 ILE C 208 -14.170 -14.947 -4.650 1.00 0.00 H new ATOM 0 HD12 ILE C 208 -13.890 -14.063 -3.131 1.00 0.00 H new ATOM 0 HD13 ILE C 208 -15.527 -14.626 -3.544 1.00 0.00 H new ATOM 1375 N ILE C 209 -15.865 -9.097 -2.339 1.00 0.00 N ATOM 1376 CA ILE C 209 -16.655 -8.180 -1.541 1.00 0.00 C ATOM 1377 C ILE C 209 -16.554 -6.776 -2.119 1.00 0.00 C ATOM 1378 O ILE C 209 -17.439 -5.950 -1.906 1.00 0.00 O ATOM 1379 CB ILE C 209 -16.161 -8.209 -0.097 1.00 0.00 C ATOM 1380 CG1 ILE C 209 -16.209 -9.641 0.429 1.00 0.00 C ATOM 1381 CG2 ILE C 209 -17.055 -7.321 0.763 1.00 0.00 C ATOM 1382 CD1 ILE C 209 -15.231 -9.788 1.591 1.00 0.00 C ATOM 0 H ILE C 209 -14.974 -9.360 -1.917 1.00 0.00 H new ATOM 0 HA ILE C 209 -17.702 -8.484 -1.559 1.00 0.00 H new ATOM 0 HB ILE C 209 -15.136 -7.842 -0.056 1.00 0.00 H new ATOM 0 HG12 ILE C 209 -17.219 -9.886 0.757 1.00 0.00 H new ATOM 0 HG13 ILE C 209 -15.953 -10.341 -0.367 1.00 0.00 H new ATOM 0 HG21 ILE C 209 -16.703 -7.341 1.795 1.00 0.00 H new ATOM 0 HG22 ILE C 209 -17.021 -6.298 0.388 1.00 0.00 H new ATOM 0 HG23 ILE C 209 -18.080 -7.689 0.722 1.00 0.00 H new ATOM 0 HD11 ILE C 209 -15.264 -10.810 1.968 1.00 0.00 H new ATOM 0 HD12 ILE C 209 -14.222 -9.560 1.248 1.00 0.00 H new ATOM 0 HD13 ILE C 209 -15.507 -9.098 2.389 1.00 0.00 H new ATOM 1394 N LEU C 210 -15.471 -6.506 -2.852 1.00 0.00 N ATOM 1395 CA LEU C 210 -15.260 -5.205 -3.456 1.00 0.00 C ATOM 1396 C LEU C 210 -15.964 -5.142 -4.804 1.00 0.00 C ATOM 1397 O LEU C 210 -16.669 -4.178 -5.095 1.00 0.00 O ATOM 1398 CB LEU C 210 -13.763 -4.955 -3.615 1.00 0.00 C ATOM 1399 CG LEU C 210 -13.167 -4.562 -2.267 1.00 0.00 C ATOM 1400 CD1 LEU C 210 -11.732 -4.083 -2.465 1.00 0.00 C ATOM 1401 CD2 LEU C 210 -13.998 -3.439 -1.651 1.00 0.00 C ATOM 0 H LEU C 210 -14.728 -7.180 -3.037 1.00 0.00 H new ATOM 0 HA LEU C 210 -15.678 -4.430 -2.814 1.00 0.00 H new ATOM 0 HB2 LEU C 210 -13.272 -5.851 -3.994 1.00 0.00 H new ATOM 0 HB3 LEU C 210 -13.591 -4.164 -4.345 1.00 0.00 H new ATOM 0 HG LEU C 210 -13.173 -5.425 -1.602 1.00 0.00 H new ATOM 0 HD11 LEU C 210 -11.306 -3.802 -1.502 1.00 0.00 H new ATOM 0 HD12 LEU C 210 -11.138 -4.884 -2.905 1.00 0.00 H new ATOM 0 HD13 LEU C 210 -11.725 -3.220 -3.130 1.00 0.00 H new ATOM 0 HD21 LEU C 210 -13.572 -3.158 -0.688 1.00 0.00 H new ATOM 0 HD22 LEU C 210 -13.992 -2.575 -2.316 1.00 0.00 H new ATOM 0 HD23 LEU C 210 -15.023 -3.781 -1.509 1.00 0.00 H new ATOM 1413 N GLU C 211 -15.770 -6.174 -5.629 1.00 0.00 N ATOM 1414 CA GLU C 211 -16.387 -6.228 -6.938 1.00 0.00 C ATOM 1415 C GLU C 211 -17.902 -6.166 -6.802 1.00 0.00 C ATOM 1416 O GLU C 211 -18.571 -5.476 -7.569 1.00 0.00 O ATOM 1417 CB GLU C 211 -15.961 -7.511 -7.647 1.00 0.00 C ATOM 1418 CG GLU C 211 -14.520 -7.372 -8.128 1.00 0.00 C ATOM 1419 CD GLU C 211 -14.443 -6.479 -9.358 1.00 0.00 C ATOM 1420 OE1 GLU C 211 -15.466 -6.406 -10.072 1.00 0.00 O ATOM 1421 OE2 GLU C 211 -13.361 -5.886 -9.562 1.00 0.00 O ATOM 0 H GLU C 211 -15.188 -6.981 -5.404 1.00 0.00 H new ATOM 0 HA GLU C 211 -16.062 -5.373 -7.531 1.00 0.00 H new ATOM 0 HB2 GLU C 211 -16.049 -8.360 -6.969 1.00 0.00 H new ATOM 0 HB3 GLU C 211 -16.620 -7.708 -8.492 1.00 0.00 H new ATOM 0 HG2 GLU C 211 -13.905 -6.954 -7.331 1.00 0.00 H new ATOM 0 HG3 GLU C 211 -14.114 -8.356 -8.362 1.00 0.00 H new ATOM 1429 N GLY C 212 -18.443 -6.889 -5.819 1.00 0.00 N ATOM 1430 CA GLY C 212 -19.874 -6.910 -5.589 1.00 0.00 C ATOM 1431 C GLY C 212 -20.329 -5.593 -4.977 1.00 0.00 C ATOM 1432 O GLY C 212 -21.206 -4.922 -5.517 1.00 0.00 O ATOM 0 H GLY C 212 -17.904 -7.466 -5.173 1.00 0.00 H new ATOM 0 HA2 GLY C 212 -20.398 -7.082 -6.529 1.00 0.00 H new ATOM 0 HA3 GLY C 212 -20.131 -7.735 -4.925 1.00 0.00 H new ATOM 1436 N THR C 213 -19.729 -5.222 -3.844 1.00 0.00 N ATOM 1437 CA THR C 213 -20.075 -3.989 -3.167 1.00 0.00 C ATOM 1438 C THR C 213 -19.868 -2.807 -4.103 1.00 0.00 C ATOM 1439 O THR C 213 -20.506 -1.769 -3.949 1.00 0.00 O ATOM 1440 CB THR C 213 -19.218 -3.841 -1.912 1.00 0.00 C ATOM 1441 OG1 THR C 213 -19.575 -4.836 -0.979 1.00 0.00 O ATOM 1442 CG2 THR C 213 -19.448 -2.463 -1.299 1.00 0.00 C ATOM 0 H THR C 213 -19.000 -5.766 -3.382 1.00 0.00 H new ATOM 0 HA THR C 213 -21.125 -4.014 -2.875 1.00 0.00 H new ATOM 0 HB THR C 213 -18.166 -3.951 -2.175 1.00 0.00 H new ATOM 0 HG1 THR C 213 -18.920 -5.564 -1.011 1.00 0.00 H new ATOM 0 HG21 THR C 213 -18.836 -2.357 -0.403 1.00 0.00 H new ATOM 0 HG22 THR C 213 -19.172 -1.693 -2.020 1.00 0.00 H new ATOM 0 HG23 THR C 213 -20.500 -2.353 -1.035 1.00 0.00 H new ATOM 1450 N ALA C 214 -18.970 -2.970 -5.078 1.00 0.00 N ATOM 1451 CA ALA C 214 -18.681 -1.919 -6.034 1.00 0.00 C ATOM 1452 C ALA C 214 -19.883 -1.705 -6.943 1.00 0.00 C ATOM 1453 O ALA C 214 -20.478 -0.629 -6.946 1.00 0.00 O ATOM 1454 CB ALA C 214 -17.448 -2.299 -6.848 1.00 0.00 C ATOM 0 H ALA C 214 -18.433 -3.826 -5.219 1.00 0.00 H new ATOM 0 HA ALA C 214 -18.479 -0.987 -5.507 1.00 0.00 H new ATOM 0 HB1 ALA C 214 -17.229 -1.510 -7.567 1.00 0.00 H new ATOM 0 HB2 ALA C 214 -16.596 -2.427 -6.180 1.00 0.00 H new ATOM 0 HB3 ALA C 214 -17.636 -3.232 -7.379 1.00 0.00 H new ATOM 1460 N VAL C 215 -20.239 -2.734 -7.716 1.00 0.00 N ATOM 1461 CA VAL C 215 -21.365 -2.654 -8.624 1.00 0.00 C ATOM 1462 C VAL C 215 -22.662 -2.570 -7.831 1.00 0.00 C ATOM 1463 O VAL C 215 -23.679 -2.112 -8.347 1.00 0.00 O ATOM 1464 CB VAL C 215 -21.368 -3.875 -9.538 1.00 0.00 C ATOM 1465 CG1 VAL C 215 -22.210 -3.583 -10.777 1.00 0.00 C ATOM 1466 CG2 VAL C 215 -19.937 -4.198 -9.960 1.00 0.00 C ATOM 0 H VAL C 215 -19.756 -3.632 -7.724 1.00 0.00 H new ATOM 0 HA VAL C 215 -21.279 -1.757 -9.238 1.00 0.00 H new ATOM 0 HB VAL C 215 -21.791 -4.726 -9.005 1.00 0.00 H new ATOM 0 HG11 VAL C 215 -22.212 -4.456 -11.430 1.00 0.00 H new ATOM 0 HG12 VAL C 215 -23.232 -3.353 -10.476 1.00 0.00 H new ATOM 0 HG13 VAL C 215 -21.788 -2.731 -11.311 1.00 0.00 H new ATOM 0 HG21 VAL C 215 -19.938 -5.071 -10.613 1.00 0.00 H new ATOM 0 HG22 VAL C 215 -19.514 -3.346 -10.493 1.00 0.00 H new ATOM 0 HG23 VAL C 215 -19.335 -4.408 -9.076 1.00 0.00 H new ATOM 1476 N ILE C 216 -22.623 -3.015 -6.573 1.00 0.00 N ATOM 1477 CA ILE C 216 -23.790 -2.988 -5.714 1.00 0.00 C ATOM 1478 C ILE C 216 -24.035 -1.568 -5.223 1.00 0.00 C ATOM 1479 O ILE C 216 -25.054 -0.963 -5.550 1.00 0.00 O ATOM 1480 CB ILE C 216 -23.579 -3.939 -4.539 1.00 0.00 C ATOM 1481 CG1 ILE C 216 -23.781 -5.377 -5.006 1.00 0.00 C ATOM 1482 CG2 ILE C 216 -24.584 -3.616 -3.437 1.00 0.00 C ATOM 1483 CD1 ILE C 216 -23.104 -6.330 -4.024 1.00 0.00 C ATOM 0 H ILE C 216 -21.787 -3.399 -6.133 1.00 0.00 H new ATOM 0 HA ILE C 216 -24.667 -3.314 -6.274 1.00 0.00 H new ATOM 0 HB ILE C 216 -22.566 -3.821 -4.153 1.00 0.00 H new ATOM 0 HG12 ILE C 216 -24.845 -5.603 -5.074 1.00 0.00 H new ATOM 0 HG13 ILE C 216 -23.363 -5.509 -6.004 1.00 0.00 H new ATOM 0 HG21 ILE C 216 -24.434 -4.295 -2.597 1.00 0.00 H new ATOM 0 HG22 ILE C 216 -24.440 -2.588 -3.103 1.00 0.00 H new ATOM 0 HG23 ILE C 216 -25.597 -3.734 -3.822 1.00 0.00 H new ATOM 0 HD11 ILE C 216 -23.248 -7.358 -4.357 1.00 0.00 H new ATOM 0 HD12 ILE C 216 -22.038 -6.109 -3.979 1.00 0.00 H new ATOM 0 HD13 ILE C 216 -23.543 -6.204 -3.034 1.00 0.00 H new ATOM 1495 N ALA C 217 -23.097 -1.036 -4.435 1.00 0.00 N ATOM 1496 CA ALA C 217 -23.217 0.306 -3.904 1.00 0.00 C ATOM 1497 C ALA C 217 -23.525 1.282 -5.031 1.00 0.00 C ATOM 1498 O ALA C 217 -24.217 2.275 -4.824 1.00 0.00 O ATOM 1499 CB ALA C 217 -21.920 0.689 -3.196 1.00 0.00 C ATOM 0 H ALA C 217 -22.246 -1.524 -4.155 1.00 0.00 H new ATOM 0 HA ALA C 217 -24.034 0.345 -3.184 1.00 0.00 H new ATOM 0 HB1 ALA C 217 -22.009 1.699 -2.796 1.00 0.00 H new ATOM 0 HB2 ALA C 217 -21.731 -0.009 -2.381 1.00 0.00 H new ATOM 0 HB3 ALA C 217 -21.093 0.651 -3.905 1.00 0.00 H new ATOM 1505 N MET C 218 -23.006 0.995 -6.228 1.00 0.00 N ATOM 1506 CA MET C 218 -23.227 1.849 -7.378 1.00 0.00 C ATOM 1507 C MET C 218 -24.703 1.847 -7.748 1.00 0.00 C ATOM 1508 O MET C 218 -25.351 2.892 -7.740 1.00 0.00 O ATOM 1509 CB MET C 218 -22.377 1.356 -8.546 1.00 0.00 C ATOM 1510 CG MET C 218 -21.020 2.053 -8.516 1.00 0.00 C ATOM 1511 SD MET C 218 -20.105 1.946 -10.074 1.00 0.00 S ATOM 1512 CE MET C 218 -21.473 2.204 -11.231 1.00 0.00 C ATOM 0 H MET C 218 -22.430 0.175 -6.417 1.00 0.00 H new ATOM 0 HA MET C 218 -22.935 2.871 -7.137 1.00 0.00 H new ATOM 0 HB2 MET C 218 -22.245 0.276 -8.483 1.00 0.00 H new ATOM 0 HB3 MET C 218 -22.882 1.561 -9.490 1.00 0.00 H new ATOM 0 HG2 MET C 218 -21.168 3.103 -8.264 1.00 0.00 H new ATOM 0 HG3 MET C 218 -20.416 1.616 -7.721 1.00 0.00 H new ATOM 0 HE1 MET C 218 -21.075 2.453 -12.215 1.00 0.00 H new ATOM 0 HE2 MET C 218 -22.068 1.293 -11.300 1.00 0.00 H new ATOM 0 HE3 MET C 218 -22.101 3.021 -10.876 1.00 0.00 H new